SCHEMBL5073202

SCHEMBL5073202

CCC(C)C(C)C[Al](CC(C)C(C)CC)CC(C)C(C)CC.CCCCC(C)C(C)C[Al](CC(C)C(C)CCCC)CC(C)C(C)CCCC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
DNM1 Q05193 2/20 0.32
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
CA1 P00915 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL335389 0.93 DNM1 (0.36) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL599090 0.85 ALDH1A1 (0.42) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL335571 0.83 TSHR (0.32) TSHR
SCHEMBL11729591 0.78 OPRM1 (0.50) TSHRDNM1OPRM1CA1
SCHEMBL335058 0.78 METAP1 (0.34) TSHR
SCHEMBL335799 0.77 ALDH1A1 (0.33) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL22345156 0.77 DNM1 (0.47) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL3185161 0.77 DNM1 (0.47) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL6910681 0.75
SCHEMBL14762412 0.75 OPRM1 (0.48) TSHRDNM1OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390862-B2 Process for polymerizing 1-butene BASELL POLYOLEFINE GMBH (DE) 2008-06-24 US disclosed
US-20060235173-A1 homopolymerizing or copolymerizing butene and ethylene in presence of polymerization catalyst containing a metallocene compound which has a silane group and alumoxane; high molecular weight, high intrinsic viscosity BASELL POLYOLEFINE GMBH (DE) 2006-10-19 US disclosed
US-6433203-B1 COORDINATION POLYMERIZATION CATALYST; ALPHA-OLEFIN POLYMER BASELL TECHNOLOGY COMPANY BV (NL) 2002-08-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060235173-A1 homopolymerizing or copolymerizing butene and ethylene in presence of polymerization catalyst containing a metallocene compound which has a silane group and alumoxane; high molecular weight, high intrinsic viscosity HRH1, F12, HRH3 ALDH1A1 3454/4885TDP1 3615/4885TSHR 1559/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.